Abstract
In this study a series of 3-arylisoquinoline derivatives were synthesized and cytotoxicity against human melanoma tumor cell evaluated, and a three dimensional quantitative structure-activity relationship was investigated using the comparative molecular field analysis (CoMFA). The results suggested that the electrostatic, steric and hydrophobic factors of 3-arylisoquinolines were strongly correlated with the antitumor activity. Considerable predictive ability (cross-validated r2 as high as 0.721) was obtained through CoMFA.
Publication types
-
Research Support, Non-U.S. Gov't
MeSH terms
-
Antineoplastic Agents / chemical synthesis*
-
Antineoplastic Agents / chemistry
-
Antineoplastic Agents / toxicity
-
Cell Survival / drug effects*
-
Computer Graphics
-
Humans
-
Indicators and Reagents
-
Isoquinolines / chemical synthesis*
-
Isoquinolines / chemistry
-
Isoquinolines / toxicity
-
Melanoma
-
Models, Molecular
-
Molecular Structure
-
Regression Analysis
-
Reproducibility of Results
-
Static Electricity
-
Structure-Activity Relationship
-
Tumor Cells, Cultured
Substances
-
Antineoplastic Agents
-
Indicators and Reagents
-
Isoquinolines